1-adamantyl-[3-azanyl-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-2-yl]methanone

Systemtic Name: 1-adamantyl-[3-azanyl-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: 1-adamantyl-[3-amino-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]methanone Formula: C30H30N2O3S2 MolecularWeight: 530.7008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)C45CC6CC(C4)CC(C6)C5)N)C7=CC=CS7)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)C45CC6CC(C4)CC(C6)C5)N)C7=CC=CS7)OC

InChI

InChI=1S/C30H30N2O3S2/c1-34-22-6-5-19(11-23(22)35-2)20-12-21(24-4-3-7-36-24)32-29-25(20)26(31)27(37-29)28(33)30-13-16-8-17(14-30)10-18(9-16)15-30/h3-7,11-12,16-18H,8-10,13-15,31H2,1-2H3